Information card for entry 4325646

Structure parameters

• Formula: C14.5 H16 Cu0.5 F6 N2 O3
• Calculated formula: C14.5 H16 Cu0.5 F6 N2 O3
• Title of publication: Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly
• Authors of publication: Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 6597 - 6609
• a: 11.0429 ± 0.0012 Å
• b: 13.5696 ± 0.0014 Å
• c: 13.6384 ± 0.0014 Å
• α: 99.227 ± 0.002°
• β: 111.801 ± 0.002°
• γ: 97.023 ± 0.002°
• Cell volume: 1835.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0926
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No